Propanoic Acid, 2-hydroxy-, Compound With 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1)

Carbamic acid, [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]-, 2-ethylhexyl ester, mono(2-hydroxypropanoate)
Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)
Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl [[3-[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)
Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl N-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)

Property	Value
InChI2D key string chemrof:inchi2d_key_string	HYNJGJWCXRMUIG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C21H35N3O4.C3H6O3/c1-6-8-9-17(7-2)15-28-20(25)22-18-11-10-16(3)19(14-18)23-21(26)27-13-12-24(4)5;1-2(4)3(5)6/h10-11,14,17H,6-9,12-13,15H2,1-5H3,(H,22,25)(H,23,26);2,4H,1H3,(H,5,6)
IUPAC name chemrof:IUPAC_name	Propanoic acid, 2-hydroxy-, compd. with 2-ethylhexyl N-[3-[[[2-(dimethylamino)ethoxy]carbonyl]amino]-4-methylphenyl]carbamate (1:1)
Molecular formula chemrof:molecular_formula	C24H41N3O7
Molecular mass chemrof:molecular_mass	483.606
Monoisotopic mass chemrof:monoisotopic_mass	483.294451
SMILES string chemrof:smiles_string	CC(O)C(=O)O.CCCCC(CC)COC(=O)Nc1ccc(C)c(NC(=O)OCCN(C)C)c1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=68227-46-3	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.063.033	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID3028421	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4CK3ML80P7	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/6437503	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27259405	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b1247dbd-d1f1-4ddc-9a4e-e48445df7a25	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
761d75b8-5ff4-4beb-8768-af32c4c26396	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
dfdccabc-fe86-4ec6-905a-cdd7917fb118	Environmental → Air → Indoor	EF 3.1	kg	4
ae92053d-ab83-40c5-bfc7-adfb92e4cfe5	Environmental → Air → Long-term	EF 3.1	kg	0
957af7ca-35db-41a1-bf7e-91c02a937b76	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
53033e47-fb91-4c44-86fa-b0df20851ac7	Environmental → Air → Unknown	EF 3.1	kg	4
d53eaf72-6668-4ca0-8b3e-e4358b9f566c	Environmental → Ground → Agricultural	EF 3.1	kg	4
c7ec710b-6f59-48b0-b895-511870f1e1dc	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
f731b7a8-2e14-409b-93b2-96f78efb581a	Environmental → Ground → Unknown	EF 3.1	kg	4
002532e0-e867-47b8-a25f-626c5b574918	Environmental → Water → Long-term	EF 3.1	kg	0
967d6e73-9eff-439a-971d-d4a2aa264459	Environmental → Water → Ocean	EF 3.1	kg	4
bd1b4cbd-fd13-408d-873b-4d820010e8e4	Environmental → Water → Surface water	EF 3.1	kg	4
e428366c-895f-43a8-9c16-b21648602c04	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

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Propanoic Acid, 2-hydroxy-, Compound With 3-[2-(dimethylamino)ethyl]1-(2-ethylhexyl)(4-methyl-1,3-phenylene)bis[carbamate] ( 1:1)

Identity

Structure

Alternative labels

Properties

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